Geometry & MOs

Info

ID:	176386
PubChem CID:	76041462
Reduced:	NPO8C50H85 (1)
Stoich.:	ABC8D50E85 (1)
Weight, g/mol:	857.593456
ΔH_f, kcal/mol:	-337.39
Dipole, Da:	13.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.763505
Charge, e:	0

Chem-info

IUPAC name:

(2-docosa-7,10,13,16,19-pentaenoyloxy-3-icosa-5,8,11-trienoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCC=CCC=CCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC=CCC=CCC=CCC=CCC=CCCCCC

DOS

IR

Vibrations